SCHEMBL28575439

SCHEMBL28575439

O=C(O)c1cccc2c(C(=O)O)cccc12.[NaH].[NaH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.70
NR4A2 P43354 1/20 0.70
NR4A3 Q92570 1/20 0.70
ALDH1A1 P00352 5/20 0.60
ALOX15 P16050 1/20 0.60
CDC25B P30305 1/20 0.54
PRNP P04156 1/20 0.53
PTPN1 P18031 1/20 0.52
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 2/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
ATIC P31939 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HMGB1 P09429 1/20 0.50
CA4 P22748 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27985 0.97 NR4A1 (0.73) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL29406795 0.97 NR4A1 (0.73) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL30570940 0.94 NR4A1 (0.70) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL28397214 0.94 NR4A1 (0.70) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL29067055 0.94 NR4A1 (0.70) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL28396941 0.94 NR4A1 (0.70) NR4A1NR4A2NR4A3ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL2457250 0.94 NR4A1 (0.70) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL28561641 0.94 NR4A1 (0.70) NR4A1NR4A2NR4A3ALDH1A1ALOX15
Bromide SCHEMBL11318433 0.94 NR4A1 (0.70) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL29067052 0.94 NR4A1 (0.70) NR4A1NR4A2NR4A3ALDH1A1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112094415-B NiMn MOF and preparation method and application thereof 西安交通大学 2021-08-13 CN disclosed
CN-112094415-A NiMn MOF and preparation method and application thereof 西安交通大学 2020-12-18 CN disclosed